SCHEMBL6961763

SCHEMBL6961763

CS(=O)(=O)OCc1c(Cl)ccc([N+](=O)[O-])c1Cl

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
VCAM1 P19320 13/20 0.42
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7902896 0.88 TDP1 (0.49) TDP1VCAM1ALDH1A1TSHRMAPK1
SCHEMBL8844206 0.78 TDP1 (0.50) TDP1VCAM1ALDH1A1MAPTPKM
SCHEMBL4301275 0.77 VCAM1 (0.49) VCAM1ALDH1A1POLB
SCHEMBL10045566 0.77 TDP1 (0.49) TDP1VCAM1ALDH1A1TSHRMAPK1
SCHEMBL8562208 0.77 TSHR (0.43) VCAM1ALDH1A1TSHRMAPTPOLB
SCHEMBL5906064 0.77 TSHR (0.47) VCAM1ALDH1A1TSHRMAPK1MAPT
SCHEMBL5711756 0.76 TDP1 (0.46) TDP1ALDH1A1TSHRMAPK1MAPT
SCHEMBL4922982 0.76 TDP1 (0.60) TDP1VCAM1ALDH1A1TSHRMAPK1
SCHEMBL8029889 0.76 TDP1 (0.51) TDP1VCAM1ALDH1A1TSHRMAPK1
SCHEMBL8020433 0.75 TDP1 (0.50) TDP1VCAM1ALDH1A1TSHRMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900203-B1 QUINOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO (JP) 2003-03-19 EP disclosed
US-6169095-B1 FOR PREVENTION AND/OR TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES IN THE EYE, SUCH AS ALLERGY, INFLAMMATION AND PAIN OF THE EYE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
US-6083959-A BRADYKININ ANTAGONISTS; FOR THE PREVENTION AND/OR THE TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES SUCH AS ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-04 US disclosed
US-5922711-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES, SHOCK OR ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-07-13 US disclosed
EP-0900203-A1 QUINOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP disclosed
EP-0596406-B1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1998-12-16 EP disclosed
US-5750699-A HALOGENATING OF CORRESPONDING COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
US-5708173-A PREPARATION OF SUBSTITUTED QUINOLINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-13 US disclosed
EP-0605499-B1 PROCESS FOR PREPARING ENANTIOMERICALLY PURE IMIDAZO 4,5,1-jk] 1,4]-BENZODIAZEPIN-2(1H -)-THIONES JANSSEN PHARMACEUTICA NV (BE) 1997-11-12 EP disclosed
WO-1997041104-A1 QUINOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-06 WO disclosed
US-5599982-A Process for preparing enantiomerically pure imidazo[4,5,1-JK][1,4]-benzodiazepin-2(1H)-thiones JANSSEN PHARMACEUTICA N.V. (BE) 1997-02-04 US disclosed
US-5574042-A ANTAGONIST FOR BRADYKININS AS ANTIALLERGENS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, SHOCK OR PAIN FUJISAWA PHARMACEUTICAL CO., LTD (JP) 1996-11-12 US disclosed
US-5563162-A CAN BE ADMINISTERD FOR THE TREATMENT OF ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASES, SHOCK OR PAIN IN ANIMALS AND HUMANS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-08 US disclosed
US-5543570-A Intermediates for preparing enantiomerically pure imidazo[4,5,1-JK][1,4]-benzodiazepin-2-(1H)-thiones JANSSEN PHARMACEUTICA N.V. (BE) 1996-08-06 US disclosed
US-5463049-A Process for preparing enantiomerically pure imidazo[4,5,1-JK][1,4]-benzodiazepin-2(1H)-thiones JANSSEN PHARMACEUTICA N.V. (BE) 1995-10-31 US disclosed
EP-0622361-A1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-02 EP disclosed
EP-0596406-A1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-11 EP disclosed
EP-0534539-A1 Process for preparing enantiomerically pure imidazo[4,5,1-jk]-[1,4]-benzodiazepin-2(1H)-thiones JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed